CID 214642

33544-18-2

Structural Information

Molecular Formula
C10H5ClN4O2
SMILES
C1=CC2=C(C=C1Cl)C(=O)C=C(O2)C3=NNN=N3
InChI
InChI=1S/C10H5ClN4O2/c11-5-1-2-8-6(3-5)7(16)4-9(17-8)10-12-14-15-13-10/h1-4H,(H,12,13,14,15)
InChIKey
OXVXNMWLJXQXFC-UHFFFAOYSA-N
Compound name
6-chloro-2-(2H-tetrazol-5-yl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

248.0101 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.01738 148.9
[M+Na]+ 270.99932 162.9
[M-H]- 247.00282 151.8
[M+NH4]+ 266.04392 162.5
[M+K]+ 286.97326 157.4
[M+H-H2O]+ 231.00736 139.9
[M+HCOO]- 293.00830 164.4
[M+CH3COO]- 307.02395 161.8
[M+Na-2H]- 268.98477 157.1
[M]+ 248.00955 153.4
[M]- 248.01065 153.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe